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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029418

[8,12-Diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

Formula: C35H40O12  |  Mol. Weight: 652.70 g/mol

IUPAC: [8,12-diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

Overview

Molecular Formula C35H40O12
Molecular Weight 652.70 g/mol
Canonical SMILES CC(=O)OCC12C(CCC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C5=CC=CC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy